Geometry & MOs

Info

ID:	190594
PubChem CID:	78025875
Reduced:	O2F3N3C27H42 (1)
Stoich.:	A2B3C3D27E42 (1)
Weight, g/mol:	290.145285
ΔH_f, kcal/mol:	-282.97
Dipole, Da:	4.85
IP(EA), eV:	-8.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(oxolan-3-yl)pyrrolidin-3-yl]sulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridine

Drug info:

PubChemData

Smile

CCCC(C1=CC=C(C=C1)C(F)(F)F)N2CCN(CC2C)C3(CCN(CC3)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations